%chk=000195151.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000195151

1 1
S 1.626264 -1.476069 0.083597
O -3.174301 2.050095 -1.727432
O -0.151699 1.708737 1.047305
O 2.157637 -2.866114 0.833737
O 2.251997 -1.441692 -1.205017
O 0.165364 -1.527601 0.122684
N -2.963327 -0.677502 0.182499
N 1.480356 1.348737 -0.505405
C -2.206613 -0.035444 -0.975494
C -2.161609 1.510810 -0.897185
C -4.414052 -0.256156 0.154965
C -2.868113 -2.182410 0.034939
C -2.328115 -0.284135 1.496345
C -0.767612 2.047513 -1.254378
C 0.190787 1.722432 -0.125389
C 2.517299 1.041439 0.511757
C 2.213422 -0.291706 1.207023
H -1.164667 -0.470415 -0.983080
H -2.671436 -0.345006 -1.939042
H -2.460486 1.892570 0.119561
H -4.932746 -0.633750 -0.745750
H -4.966107 -0.625806 1.037319
H -4.521754 0.848381 0.131510
H -3.384578 -2.706333 0.857763
H -3.302685 -2.534693 -0.915249
H -1.797893 -2.507565 0.057118
H -2.288302 0.817560 1.632729
H -2.856373 -0.718798 2.359301
H -1.265758 -0.626427 1.530873
H -0.824910 3.159383 -1.368101
H -0.425889 1.682594 -2.242280
H -2.940836 2.035981 -2.681579
H 1.793648 1.389870 -1.477028
H 2.557015 1.854261 1.280558
H 3.513281 1.010513 0.008818
H 1.473831 -0.102727 2.028965
H 3.115204 -0.637249 1.768494
H 2.391556 -3.627977 0.271448


%chk=000195151-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000195151

1 1
S 1.799481 -1.591898 0.198135
O -3.268130 2.173578 -1.395923
O 0.102668 1.837157 1.076030
O 2.631901 -2.809027 1.289985
O 2.410621 -1.630352 -1.297094
O 0.181285 -1.748873 0.342885
N -3.102359 -0.708567 0.148647
N 1.555928 1.391016 -0.674903
C -2.154336 0.012637 -0.839743
C -2.124787 1.552574 -0.717234
C -4.548032 -0.241931 -0.013376
C -3.010071 -2.208687 -0.147423
C -2.637484 -0.483559 1.590326
C -0.762731 2.108975 -1.203642
C 0.329116 1.779166 -0.174297
C 2.698896 1.079748 0.201851
C 2.422665 -0.054302 1.194321
H -1.162341 -0.430886 -0.642822
H -2.484578 -0.278022 -1.853621
H -2.227695 1.871733 0.332256
H -4.895784 -0.503363 -1.024303
H -5.164274 -0.752512 0.743164
H -4.599367 0.848455 0.107619
H -3.679463 -2.748335 0.540036
H -3.322935 -2.387313 -1.187795
H -1.965830 -2.527637 -0.001139
H -2.749915 0.575354 1.859800
H -3.262027 -1.102198 2.253094
H -1.581099 -0.783839 1.664334
H -0.859509 3.209339 -1.264296
H -0.505353 1.735833 -2.214603
H -3.118858 2.213078 -2.375160
H 1.701947 1.329784 -1.684424
H 2.958568 1.962692 0.819024
H 3.561942 0.839563 -0.438745
H 1.588940 0.161578 1.877692
H 3.324755 -0.413659 1.711812
H 2.526047 -3.731997 0.916426


